SCHEMBL9867255

SCHEMBL9867255

CC(CSCc1ccccn1)NC(=N)NCCCc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9866288 0.89 EPHX2 (0.37) ALDH1A1SMN1; SMN2KMT2ACYP1A2POLB
SCHEMBL7180733 0.85 LMNA (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10872563 0.82
SCHEMBL9867261 0.81 HRH2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9866816 0.80 SLC47A1 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
SCHEMBL9866194 0.80 SLC47A1 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
SCHEMBL9866169 0.80 SLC47A1 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL9866175 0.80 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL10874476 0.80 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL9865304 0.80 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2ACYP1A2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP claimed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP claimed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed